Matches in SemOpenAlex for { <https://semopenalex.org/work/W2337727369> ?p ?o ?g. }
- W2337727369 endingPage "4409" @default.
- W2337727369 startingPage "4399" @default.
- W2337727369 abstract "Targeted manipulation and exploitation of beneficial properties of multienzyme complexes, especially for the design of novel and efficiently structured enzymatic reaction cascades, require a solid model understanding of mechanistic principles governing the structure and functionality of the complexes. This type of system-level and quantitative knowledge has been very scarce thus far. We utilize the human pyruvate dehydrogenase complex (hPDC) as a versatile template to conduct corresponding studies. Here we present new homology models of the core subunits of the hPDC, namely E2 and E3BP, as the first time effort to elucidate the assembly of hPDC core based on molecular dynamic simulation. New models of E2 and E3BP were generated and validated at atomistic level for different properties of the proteins. The results of the wild type dimer simulations showed a strong hydrophobic interaction between the C-terminal and the hydrophobic pocket which is the main driving force in the intertrimer binding and the core self-assembly. On the contrary, the C-terminal truncated versions exhibited a drastic loss of hydrophobic interaction leading to a dimeric separation. This study represents a significant step toward a model-based understanding of structure and function of large multienzyme systems like PDC for developing highly efficient biocatalyst or bioreaction cascades." @default.
- W2337727369 created "2016-06-24" @default.
- W2337727369 creator A5056500682 @default.
- W2337727369 creator A5075797131 @default.
- W2337727369 creator A5083546639 @default.
- W2337727369 date "2016-05-04" @default.
- W2337727369 modified "2023-09-24" @default.
- W2337727369 title "Human Pyruvate Dehydrogenase Complex E2 and E3BP Core Subunits: New Models and Insights from Molecular Dynamics Simulations" @default.
- W2337727369 cites W1464942164 @default.
- W2337727369 cites W194997818 @default.
- W2337727369 cites W1965560011 @default.
- W2337727369 cites W1977399782 @default.
- W2337727369 cites W1977845138 @default.
- W2337727369 cites W1978014619 @default.
- W2337727369 cites W1985731775 @default.
- W2337727369 cites W1985748618 @default.
- W2337727369 cites W1987474460 @default.
- W2337727369 cites W2008708467 @default.
- W2337727369 cites W2018207670 @default.
- W2337727369 cites W2020661893 @default.
- W2337727369 cites W2029667189 @default.
- W2337727369 cites W2035503835 @default.
- W2337727369 cites W2040776432 @default.
- W2337727369 cites W2049702106 @default.
- W2337727369 cites W2051210555 @default.
- W2337727369 cites W2069123478 @default.
- W2337727369 cites W2082584140 @default.
- W2337727369 cites W2091679238 @default.
- W2337727369 cites W2095753590 @default.
- W2337727369 cites W2098441613 @default.
- W2337727369 cites W2118161071 @default.
- W2337727369 cites W2120842521 @default.
- W2337727369 cites W2123768693 @default.
- W2337727369 cites W2128572087 @default.
- W2337727369 cites W2129434797 @default.
- W2337727369 cites W2134711862 @default.
- W2337727369 cites W2137457643 @default.
- W2337727369 cites W2149525061 @default.
- W2337727369 cites W2152301430 @default.
- W2337727369 cites W2158714788 @default.
- W2337727369 cites W2165779834 @default.
- W2337727369 cites W2171268876 @default.
- W2337727369 cites W2329416758 @default.
- W2337727369 cites W2963840034 @default.
- W2337727369 cites W3017082821 @default.
- W2337727369 doi "https://doi.org/10.1021/acs.jpcb.6b02698" @default.
- W2337727369 hasPubMedId "https://pubmed.ncbi.nlm.nih.gov/27104227" @default.
- W2337727369 hasPublicationYear "2016" @default.
- W2337727369 type Work @default.
- W2337727369 sameAs 2337727369 @default.
- W2337727369 citedByCount "14" @default.
- W2337727369 countsByYear W23377273692017 @default.
- W2337727369 countsByYear W23377273692018 @default.
- W2337727369 countsByYear W23377273692019 @default.
- W2337727369 countsByYear W23377273692021 @default.
- W2337727369 countsByYear W23377273692022 @default.
- W2337727369 countsByYear W23377273692023 @default.
- W2337727369 crossrefType "journal-article" @default.
- W2337727369 hasAuthorship W2337727369A5056500682 @default.
- W2337727369 hasAuthorship W2337727369A5075797131 @default.
- W2337727369 hasAuthorship W2337727369A5083546639 @default.
- W2337727369 hasConcept C12554922 @default.
- W2337727369 hasConcept C147597530 @default.
- W2337727369 hasConcept C171250308 @default.
- W2337727369 hasConcept C178790620 @default.
- W2337727369 hasConcept C181199279 @default.
- W2337727369 hasConcept C185592680 @default.
- W2337727369 hasConcept C192562407 @default.
- W2337727369 hasConcept C2779546866 @default.
- W2337727369 hasConcept C47701112 @default.
- W2337727369 hasConcept C55493867 @default.
- W2337727369 hasConcept C59593255 @default.
- W2337727369 hasConcept C70721500 @default.
- W2337727369 hasConcept C86803240 @default.
- W2337727369 hasConcept C88099638 @default.
- W2337727369 hasConceptScore W2337727369C12554922 @default.
- W2337727369 hasConceptScore W2337727369C147597530 @default.
- W2337727369 hasConceptScore W2337727369C171250308 @default.
- W2337727369 hasConceptScore W2337727369C178790620 @default.
- W2337727369 hasConceptScore W2337727369C181199279 @default.
- W2337727369 hasConceptScore W2337727369C185592680 @default.
- W2337727369 hasConceptScore W2337727369C192562407 @default.
- W2337727369 hasConceptScore W2337727369C2779546866 @default.
- W2337727369 hasConceptScore W2337727369C47701112 @default.
- W2337727369 hasConceptScore W2337727369C55493867 @default.
- W2337727369 hasConceptScore W2337727369C59593255 @default.
- W2337727369 hasConceptScore W2337727369C70721500 @default.
- W2337727369 hasConceptScore W2337727369C86803240 @default.
- W2337727369 hasConceptScore W2337727369C88099638 @default.
- W2337727369 hasFunder F4320321114 @default.
- W2337727369 hasIssue "19" @default.
- W2337727369 hasLocation W23377273691 @default.
- W2337727369 hasLocation W23377273692 @default.
- W2337727369 hasOpenAccess W2337727369 @default.
- W2337727369 hasPrimaryLocation W23377273691 @default.
- W2337727369 hasRelatedWork W1965472986 @default.
- W2337727369 hasRelatedWork W1987247710 @default.
- W2337727369 hasRelatedWork W2038134454 @default.